Changes in / [327364:8d6d31]


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  • tests/Tesselations/defs.in

    r327364 r8d6d31  
    5454        #echo "Current dir is `pwd`, calling $MOLECUILDER $mol.conf -e $exec_prefix -p ../$mol.xyz -N $RADIUS $FILENAME."
    5555        if [ -e $mol.dbond ]; then
    56                 $MOLECUILDER $mol.conf -e $exec_prefix -p ../$mol.xyz -A $mol.dbond --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?
     56                $MOLECUILDER -i ../$mol.xyz -A $mol.dbond --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?
    5757        else
    58                 $MOLECUILDER $mol.conf -e $exec_prefix -p ../$mol.xyz --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?
     58                $MOLECUILDER -i ../$mol.xyz --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?
    5959        fi
    6060        #echo "Molecuilder done with exitcode $exitcode."
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